2-(3-aminophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 2-(3-aminophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 2-(3-aminophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 2-[(3-aminophenyl)thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 2-(3-aminophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 2-[(3-aminophenyl)thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)SC3=CC=CC(=C3)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)SC3=CC=CC(=C3)N

InChI

InChI=1S/C22H27N3OS2/c1-13(27-16-7-5-6-15(24)11-16)20(26)25-21-18(12-23)17-9-8-14(22(2,3)4)10-19(17)28-21/h5-7,11,13-14H,8-10,24H2,1-4H3,(H,25,26)